REMARK  Name = BDB057892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.482   0.116   0.580  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1        1.732   0.417  -0.529  0.00  0.00    -0.128 NA
ATOM      3  N   LIG    1        0.818  -0.531  -0.679  0.00  0.00    -0.065 NA
ATOM      4  N   LIG    1        0.984  -1.419   0.320  0.00  0.00    -0.247 N 
ATOM      5  C   LIG    1        2.019  -1.059   1.131  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        0.130  -2.595   0.449  0.00  0.00    +0.126 C 
ATOM      7  C   LIG    1       -1.208  -2.232   1.105  0.00  0.00    +0.135 C 
ATOM      8  N   LIG    1       -2.139  -1.557   0.203  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1       -3.071  -0.683   0.761  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1       -3.251  -0.579   1.973  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -2.138  -1.957  -1.207  0.00  0.00    +0.108 C 
ATOM     12  C   LIG    1       -1.483  -3.318  -1.414  0.00  0.00    +0.021 C 
ATOM     13  C   LIG    1       -0.051  -3.361  -0.877  0.00  0.00    +0.030 C 
BRANCH   9  14
ATOM     14  C   LIG    1       -3.886   0.162  -0.140  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -3.273   1.016  -1.064  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -4.059   1.819  -1.889  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -5.451   1.781  -1.780  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -6.060   0.948  -0.839  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -5.278   0.142  -0.011  0.00  0.00    +0.013 A 
ENDBRANCH   9  14
ENDBRANCH   4   6
BRANCH   1  22
ATOM     20  C   LIG    1        5.002   2.830   0.958  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        3.958   2.084   0.417  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1        3.578   0.926   1.077  0.00  0.00    +0.093 A 
ATOM     23  N   LIG    1        4.194   0.495   2.211  0.00  0.00    -0.253 NA
ATOM     24  C   LIG    1        5.220   1.229   2.692  0.00  0.00    +0.112 A 
ATOM     25  C   LIG    1        5.661   2.400   2.108  0.00  0.00    +0.035 A 
BRANCH  20  27
ATOM     26  O   LIG    1        5.561   4.131  -0.944  0.00  0.00    -0.245 OA
ATOM     27  C   LIG    1        5.422   4.063   0.263  0.00  0.00    +0.337 C 
BRANCH  27  28
ATOM     28  O   LIG    1        5.603   5.101   1.105  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1        5.280   4.955   2.014  0.00  0.00    +0.295 HD
ENDBRANCH  27  28
ENDBRANCH  20  27
ENDBRANCH   1  22
TORSDOF 5